SCHEMBL5282347

SCHEMBL5282347

Cc1ccccc1-c1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.55
ALDH1A1 P00352 8/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
CD274 Q9NZQ7 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PDCD1 Q15116 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
ALOX5 P09917 1/20 0.50
MAPT P10636 6/20 0.49
KDM4E B2RXH2 4/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
PTGS2 P35354 1/20 0.49
LMNA P02545 3/20 0.48
GABRA1 P14867 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10094668 0.89 CD274 (0.57) ALDH1A1SMN1; SMN2RAB9ANPC1CD274
SCHEMBL30010387 0.89 CD274 (0.57) ALDH1A1SMN1; SMN2RAB9ANPC1CD274
SCHEMBL21317855 0.83 CD274 (0.52) PTPRCALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL14003406 0.81 KDM4E (0.54) PTPRCALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL26613458 0.79 PTPRC (0.53) PTPRCALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL27466656 0.79 BCL2L1 (0.59) PTPRCALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL3597253 0.79 PTPRC (0.55) PTPRCALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL31366955 0.79 PTPRC (0.55) PTPRCALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL395611 0.79 PTPRC (0.55) PTPRCALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL6590522 0.78 ALOX5 (0.47) PTPRCALDH1A1SMN1; SMN2RAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022076820-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-04-14 WO disclosed
US-8212056-B2 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-07-03 US disclosed
US-8212056-B2 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-07-03 US disclosed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090326243-A1 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-12-31 US disclosed
US-20090326243-A1 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-12-31 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
EP-1313560-B1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2007-12-19 EP disclosed
EP-1313560-A4 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2005-02-09 EP disclosed
EP-1313560-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2003-05-28 EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090326243-A1 Ligands for transition-metals and methods of use PDK4, PDXK, PDK3 PTPRC 602/4885ALDH1A1 1267/4885SMN1; SMN2 4316/4885
US-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 PTPRC 3258/4885ALDH1A1 2989/4885SMN1; SMN2 4477/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.